1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine

C18H18FNO — CID 90896555

IUPAC1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1ccc(C(NOCc2ccccc2)=C2CCC2)cc1
InChIInChI=1S/C18H18FNO/c19-17-11-9-16(10-12-17)18(15-7-4-8-15)20-21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8,13H2
InChIKeyVUUUJKVRTJVSCZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.44
Rot. Bonds5

About 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine

1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine (PubChem CID 90896555) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
PubChem CID90896555
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1ccc(C(NOCc2ccccc2)=C2CCC2)cc1
InChIInChI=1S/C18H18FNO/c19-17-11-9-16(10-12-17)18(15-7-4-8-15)20-21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8,13H2
InChIKeyVUUUJKVRTJVSCZ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,O-Dibenzylhydroxylamine
CID 11063773
Benzyloxyaniline
CID 12589378
1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-fluoro-N-phenylmethoxyaniline
CID 59957349
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
N-[fluoro(phenyl)methoxy]aniline
CID 87377775
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine (CID 90896555) is 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine is Fc1ccc(C(NOCc2ccccc2)=C2CCC2)cc1.
What is the InChIKey of 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine?
The InChIKey is VUUUJKVRTJVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-11-9-16(10-12-17)18(15-7-4-8-15)20-21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8,13H2.
What are the key properties of 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine?
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 90896555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).